4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[4-[2-[(1R)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide CAS Name: 4-[4-[2-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide Traditional Name: 4-[4-[2-[(1R)-isochroman-1-yl]ethyl]piperazino]benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1